SCHEMBL31037902

SCHEMBL31037902

Brc1cccc2c1nc1n2C2CCC1C2

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 6/20 0.38
▸ TGFBR1 P36897 10/20 0.34
▸ MAPK14 Q16539 2/20 0.34
▸ KDR P35968 1/20 0.34
▸ CYP11B2 P19099 2/20 0.33
▸ OPRM1 P35372 1/20 0.32
▸ OPRL1 P41146 1/20 0.32
▸ SLC18A3 Q16572 1/20 0.32
▸ SIGMAR1 Q99720 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31037915 1.00 GRM2 (0.38) GRM2TGFBR1MAPK14KDRCYP11B2
SCHEMBL31546233 0.82 TGFBR1 (0.39) TGFBR1MAPK14KDRCYP11B2
SCHEMBL31037920 0.82 TGFBR1 (0.39) TGFBR1MAPK14KDRCYP11B2
SCHEMBL31037903 0.78 GRM2 (0.42) GRM2TGFBR1MAPK14KDRCYP11B2
SCHEMBL31037922 0.78 GRM2 (0.42) GRM2TGFBR1MAPK14KDRCYP11B2
SCHEMBL31037909 0.77 PARP1 (0.39) TGFBR1MAPK14KDROPRM1OPRL1
SCHEMBL25099365 0.66 TGFBR1 (0.39) TGFBR1MAPK14KDR
SCHEMBL21277973 0.65 TGFBR1 (0.58) TGFBR1MAPK14KDR
SCHEMBL20074379 0.65 TGFBR1 (0.58) TGFBR1MAPK14KDR
SCHEMBL31546235 0.65 GRM2 (0.37) GRM2CYP11B2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119731163-A KIF18A inhibitor compound, pharmaceutical composition, preparation method and application thereof 长春金赛药业有限责任公司 2025-03-28 — — CN disclosed
CN-118666851-A Condensed ring KIF18A inhibitor compound, pharmaceutical composition, preparation method and application thereof 长春金赛药业有限责任公司 2024-09-20 — — CN disclosed
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